SCHEMBL2015799

SCHEMBL2015799

Cc1cc([N+](=O)[O-])cc(CN2CCCC2)c1N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.52
ALDH1A1 P00352 4/20 0.45
MAPT P10636 4/20 0.45
KCNJ1 P48048 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ACHE P22303 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NSD2 O96028 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2014027 0.86 SIRT6 (0.43) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL2010523 0.84 ALDH1A1 (0.42) CTSBALDH1A1MAPTLMNASMN1; SMN2
Piperazine SCHEMBL2013868 0.83 CTSB (0.48) CTSBALDH1A1MAPTKCNJ1LMNA
SCHEMBL29716254 0.82 CTSB (0.60) CTSBALDH1A1MAPTKCNJ1LMNA
SCHEMBL23213827 0.82 CTSB (0.60) CTSBALDH1A1MAPTKCNJ1LMNA
SCHEMBL13583216 0.80 MAPT (0.43) CTSBALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL13583214 0.80 MAPT (0.43) CTSBALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL2013635 0.78 CYP2A13 (0.44) MAPTLMNAPOLBMEN1KMT2A
SCHEMBL25821919 0.78 KMT2A (0.48) ALDH1A1MAPTLMNASMN1; SMN2POLB
SCHEMBL17979926 0.76 CTSB (0.71) CTSBALDH1A1MAPTKCNJ1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680095-B2 Heterocycle compounds and uses thereof for the prevention or treatment of diseases involving formation of amyloid plaques and/or where a dysfunction of the APP metabolism occurs INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-03-25 US disclosed
US-20120283256-A1 NEW HETEROCYCLE COMPOUNDS AND USES THEREOF FOR THE PREVENTION OR TREATMENT OF DISEASES INVOLVING FORMATION OF AMYLOID PLAQUES AND/OR WHERE A DYSFUNCTION OF THE APP METABOLISM OCCURS UNIVERSITE LILLE 1 - SCIENCES ET TECHNOLOGIES (FR) 2012-11-08 US disclosed
EP-2513062-A1 7-CHLORO-QUINOLIN-4-AMINE COMPOUNDS AND USES THEREOF FOR THE PREVENTION OR TREATMENT OF DISEASES INVOLVING FORMATION OF AMYLOID PLAQUES AND/OR WHERE A DYSFUNCTION OF THE APP METABOLISM OCCURS Institut National de la Santé et de la Recherche Médicale (FR) 2012-10-24 EP disclosed
WO-2011073322-A1 7-CHLORO-QUINOLIN-4-AMINE COMPOUNDS AND USES THEREOF FOR THE PREVENTION OR TREATMENT OF DISEASES INVOLVING FORMATION OF AMYLOID PLAQUES AND/OR WHERE A DYSFUNCTION OF THE APP METABOLISM OCCURS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-06-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120283256-A1 NEW HETEROCYCLE COMPOUNDS AND USES THEREOF FOR THE PREVENTION OR TREATMENT OF DISEASES INVOLVING FORMATION OF AMYLOID PLAQUES AND/OR WHERE A DYSFUNCTION OF THE APP METABOLISM OCCURS APP, BACE1, PSEN1 CTSB 582/4885ALDH1A1 1615/4885MAPT 20/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.